SCHEMBL22735999

SCHEMBL22735999

O=S(=O)(CCC(c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1)C(F)(F)F)NC1CC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ JAK2 O60674 2/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ GCG P01275 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22716739 0.89 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL29567685 0.89 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL22716737 0.89 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL29567322 0.89 JAK2 (0.33) JAK2JAK1TYK2JAK3
SCHEMBL22736539 0.89 JAK2 (0.31) JAK2JAK1TYK2JAK3GCG
SCHEMBL29480732 0.89 JAK2 (0.31) JAK2JAK1TYK2JAK3GCG
SCHEMBL22736008 0.88 KDM4A (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL29567316 0.88 KDM4A (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL22735791 0.87 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL22736486 0.87 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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